CID 14034001

9-hydroxy-4-methoxypsoralen 9-glucoside

Structural Information

Molecular Formula
C18H18O10
SMILES
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C18H18O10/c1-24-14-7-2-3-10(20)27-16(7)17(15-8(14)4-5-25-15)28-18-13(23)12(22)11(21)9(6-19)26-18/h2-5,9,11-13,18-19,21-23H,6H2,1H3
InChIKey
BPZBSASYSWKXFS-UHFFFAOYSA-N
Compound name
4-methoxy-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

394.09 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09728 185.6
[M+Na]+ 417.07922 197.6
[M+NH4]+ 412.12382 189.8
[M+K]+ 433.05316 197.7
[M-H]- 393.08272 190.0
[M+Na-2H]- 415.06467 185.0
[M]+ 394.08945 188.3
[M]- 394.09055 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.